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14076-19-8 | Quinoline, 5-chloro-4-nitro-, 1-oxide
CAS No: 14076-19-8 Catalog No: AG001CR3 MDL No:
Product Description
Catalog Number:
AG001CR3
Chemical Name:
Quinoline, 5-chloro-4-nitro-, 1-oxide
CAS Number:
14076-19-8
Molecular Formula:
C9H5ClN2O3
Molecular Weight:
224.6006
IUPAC Name:
5-chloro-4-nitro-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C9H5ClN2O3/c10-6-2-1-3-7-9(6)8(12(14)15)4-5-11(7)13/h1-5H
InChI Key:
AJDCCZAGSXCPDP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc[n+](c2c1c(Cl)ccc2)[O-]
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.999g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.6g/mol
Monoisotopic Mass:
223.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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